Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

The Journal of Chemical Physics

Dynamics of a two-level system coupled to a bath of spins

Haobin Wang, Jiushu Shao

Published Jul 13, 2012• 30 citations
Publisher

Abstract

The dynamics of a two-level system coupled to a spin bath is investigated via the numerically exact multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory. Consistent with the previous work on linear response approximation [N. Makri, J. Phys. Chem. B 103, 2823 (1999)], it is demonstrated numerically that this spin-spin-bath model can be mapped onto the well-known spin-boson model if the system-bath coupling strength obeys an appropriate scaling behavior. This linear response mapping, however, may require many bath spin degrees of freedom to represent the practical continuum limit. To clarify the discrepancies resulted from different approximate treatments of this model, the population dynamics of the central two-level system has been investigated near the transition boundary between the coherent and incoherent motions via the ML-MCTDH method. It is found that increasing temperature favors quantum coherence in the nonadiabatic limit of this model, which corroborates the prediction in the previous work [J. Shao and P. Hanggi, Phys. Rev. Lett. 81, 5710 (1998)] based on the non-interacting blip approximation (NIBA). However, the coherent-incoherent boundary obtained by the exact ML-MCTDH simulation is slightly different from the approximate NIBA results. Quantum dynamics in other physical regimes are also discussed.

DOI
10.1063/1.4732808

Related papers

From coherent motion to localization: dynamics of the spin-boson model at zero temperature

Haobin Wang, Michael Thoss

The dynamics of the spin-boson model at zero temperature is investigated using the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method.This method allows a numerically exact description of the dynamics of the spin-boson model in a broad range of coupling strengths.The results show the transition of the dynamics from weakly damped coherent motion to incoherent decay and finally to localization upon increase of the system-bath coupling strength.A detailed analysis of the incoherent decay for stronger coupling reveals that multiple timescales are involved in the dynamics.Furthermore, the applicability of the scaling limit for large characteristic frequencies of the bath as well as the validity of the non-interacting blip approximation are studied in some detail.

New Journal of Physics•Nov 20, 2008•145 citations

Dynamics of electron transfer in complex glassy environment modeled by the Cole–Davidson spectral density

Yun Zhou, Jiushu Shao, Haobin Wang

The dynamics of electron transfer reactions in a complex environment is investigated in the context of the spin-boson model with a bath characterized by the Cole–Davidson spectral density. Using the numerically exact multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method, the population dynamics of the two-level subsystem has been investigated in a broad physical regime. Upon changing various parameters, the simulation results exhibit either weakly damped coherent motion, incoherent decay, or localization. Transitions between these regimes are discussed in terms of several important physical parameters. Comparison of the exact ML-MCTDH simulations with the non-interacting blip approximation (NIBA) shows that the latter performs quite well in the nonadiabatic regime despite the complex multiple time scales the bath exhibits, but fails in the adiabatic and intermediate regimes where the relaxation of the bath is no longer significantly faster than the electron transfer process. In the nonadiabatic regime an interesting, semi-quantitative finding on electron transfer dynamics is discussed based on a simple relation between two parameters in the Cole–Davidson spectral density, the coupling strength and the fractional stretching exponent.

Molecular Physics•Apr 10, 2012•11 citations

Dissipative tunneling in a bath of two-level systems

Kelsey M. Forsythe, Nancy Makri

The dynamical behavior of a two-level system coupled linearly to a dissipative bath of two-level systems whose tunneling splittings and coupling parameters are distributed according to an Ohmic spectrum is studied using numerical path integral methods as well as the noninteracting blip approximation for an equivalent harmonic environment characterized by a scaled spectral density. Comparisons with the behaviors of the conventional spin-boson model of similar coupling strength reveal a weaker quenching of coherence in the present case. Finally, the boundary in parameter space between coherent and incoherent dynamics is mapped.

Physical review. B, Condensed matter•Jul 1, 1999•42 citations

Ab initio approach to many-body quantum spin dynamics

Aditya Dubey, Zeki Zeybek, Fabian Köhler +2 more

A fundamental longstanding problem in studying spin models is the efficient and accurate numerical simulation of the long-time behavior of larger systems. The exponential growth of the Hilbert space and the entanglement accumulation at long times pose major challenges for current methods. To address these issues, we employ the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) framework to simulate the many-body spin dynamics of the Heisenberg model in various settings, including the Ising and XYZ limits with different interaction ranges and random couplings. Benchmarks with analytical and exact numerical approaches show that ML-MCTDH accurately captures the time evolution of one- and two-body observables in both one- and two-dimensional lattices. A comparison with the discrete truncated Wigner approximation (DTWA) highlights that ML-MCTDH is particularly well-suited for handling anisotropic models and provides more reliable results for two-point observables across all tested cases. The behavior of the corresponding entanglement dynamics is analyzed to reveal the complexity of the quantum states. Our findings indicate that the rate of entanglement growth strongly depends on the interaction range and the presence of disorder. This particular relationship is then used to examine the convergence behavior of ML-MCTDH. Our results indicate that the multilayer structure of ML-MCTDH is a promising numerical framework for handling the dynamics of generic many-body spin systems.

arXiv:2411.13190•Physical Review Research•Apr 11, 2025•2 citations

Influence of temperature on coherent dynamics of a two-level system immersed in a dissipative spin bath

Zhiguo Lü, Hang Zheng

The quantum dynamics of a two-level system coupled to an Ohmic spin bath is studied by means of the perturbation approach based on a unitary transformation. A scattering function xi(k) is introduced in the transformation to take into account quantum fluctuations. By the master equation within the Born approximation, nonequilibrium dynamics quantities are calculated. The method works well for the coupling constant 0<alpha<alpha(c) and a finite bare tunneling Delta. It is found that (i) only at zero temperature with small coupling or moderate one does the spin-spin-bath model display identical behavior as the well-known spin-boson-bath model; (ii) in comparison with the known results of spin-boson-bath model, the coherence-incoherence transition point, which occurs at alpha(c)=12[1+etaDelta/omega(c)], is temperature independent; and (iii) the nonequilibrium correlation function P(t)=tau(z)(t), evolves without temperature dependence, while tau(x)(t) depends on temperature. Both P(t) and tau(x)(t) not only satisfy their initial conditions, respectively, and also have correct long time limits. Besides, the Shiba relation and sum rule are exactly satisfied in the coherent regime for this method. Our results show that increasing temperature does not help the system suppress decoherence in the coherent regime, i.e., finite temperature does not favor the coherent dynamics in this regime. Thus, the finite-temperature dynamics induced by two kinds of baths (spin-bath and boson-bath) exhibit distinctly different physics.

arXiv:1104.1751•The Journal of Chemical Physics•Oct 5, 2009•13 citations

A unified stochastic formulation of dissipative quantum dynamics. II. Beyond linear response of spin baths

Chang‐Yu Hsieh, Jianshu Cao

We use the “generalized hierarchical equation of motion” proposed in Paper I [C.-Y. Hsieh and J. Cao, J. Chem. Phys. 148, 014103 (2018)] to study decoherence in a system coupled to a spin bath. The present methodology allows a systematic incorporation of higher-order anharmonic effects of the bath in dynamical calculations. We investigate the leading order corrections to the linear response approximations for spin bath models. Two kinds of spin-based environments are considered: (1) a bath of spins discretized from a continuous spectral density and (2) a bath of localized nuclear or electron spins. The main difference resides with how the bath frequency and the system-bath coupling parameters are distributed in an environment. When discretized from a continuous spectral density, the system-bath coupling typically scales as ∼1/NB where NB is the number of bath spins. This scaling suppresses the non-Gaussian characteristics of the spin bath and justifies the linear response approximations in the thermodynamic limit. For the nuclear/electron spin bath models, system-bath couplings are directly deduced from spin-spin interactions and do not necessarily obey the 1/NB scaling. It is not always possible to justify the linear response approximations in this case. Furthermore, if the spin-spin Hamiltonian is highly symmetrical, there exist additional constraints that generate highly non-Markovian and persistent dynamics that is beyond the linear response treatments.

arXiv:1701.05713•The Journal of Chemical Physics•Jan 2, 2018•68 citations
The dynamics of a two-level system coupled to a spin bath is investigated via the numerically exact multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory. Consistent with the previous work on linear response approximation [N. Makri, J. Phys. Chem. B 103, 2823 (1999)], it is demonstrated numerically that this spin-spin-bath model can be mapped onto the well-known spin-boson model if the system-bath coupling strength obeys an appropriate scaling behavior. This linear response mapping, however, may require many bath spin degrees of freedom to represent the practical continuum limit. To clarify the discrepancies resulted from different approximate treatments of this model, the population dynamics of the central two-level system has been investigated near the transition boundary between the coherent and incoherent motions via the ML-MCTDH method. It is found that increasing temperature favors quantum coherence in the nonadiabatic limit of this model, which corroborates the prediction in the previous work [J. Shao and P. Hanggi, Phys. Rev. Lett. 81, 5710 (1998)] based on the non-interacting blip approximation (NIBA). However, the coherent-incoherent boundary obtained by the exact ML-MCTDH simulation is slightly different from the approximate NIBA results. Quantum dynamics in other physical regimes are also discussed.
The dynamics of the spin-boson model at zero temperature is investigated using the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method.This method allows a numerically exact description of the dynamics of the spin-boson model in a broad range of coupling strengths.The results show the transition of the dynamics from weakly damped coherent motion to incoherent decay and finally to localization upon increase of the system-bath coupling strength.A detailed analysis of the incoherent decay for stronger coupling reveals that multiple timescales are involved in the dynamics.Furthermore, the applicability of the scaling limit for large characteristic frequencies of the bath as well as the validity of the non-interacting blip approximation are studied in some detail.
The dynamics of electron transfer reactions in a complex environment is investigated in the context of the spin-boson model with a bath characterized by the Cole–Davidson spectral density. Using the numerically exact multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method, the population dynamics of the two-level subsystem has been investigated in a broad physical regime. Upon changing various parameters, the simulation results exhibit either weakly damped coherent motion, incoherent decay, or localization. Transitions between these regimes are discussed in terms of several important physical parameters. Comparison of the exact ML-MCTDH simulations with the non-interacting blip approximation (NIBA) shows that the latter performs quite well in the nonadiabatic regime despite the complex multiple time scales the bath exhibits, but fails in the adiabatic and intermediate regimes where the relaxation of the bath is no longer significantly faster than the electron transfer process. In the nonadiabatic regime an interesting, semi-quantitative finding on electron transfer dynamics is discussed based on a simple relation between two parameters in the Cole–Davidson spectral density, the coupling strength and the fractional stretching exponent.
The dynamical behavior of a two-level system coupled linearly to a dissipative bath of two-level systems whose tunneling splittings and coupling parameters are distributed according to an Ohmic spectrum is studied using numerical path integral methods as well as the noninteracting blip approximation for an equivalent harmonic environment characterized by a scaled spectral density. Comparisons with the behaviors of the conventional spin-boson model of similar coupling strength reveal a weaker quenching of coherence in the present case. Finally, the boundary in parameter space between coherent and incoherent dynamics is mapped.
A fundamental longstanding problem in studying spin models is the efficient and accurate numerical simulation of the long-time behavior of larger systems. The exponential growth of the Hilbert space and the entanglement accumulation at long times pose major challenges for current methods. To address these issues, we employ the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) framework to simulate the many-body spin dynamics of the Heisenberg model in various settings, including the Ising and XYZ limits with different interaction ranges and random couplings. Benchmarks with analytical and exact numerical approaches show that ML-MCTDH accurately captures the time evolution of one- and two-body observables in both one- and two-dimensional lattices. A comparison with the discrete truncated Wigner approximation (DTWA) highlights that ML-MCTDH is particularly well-suited for handling anisotropic models and provides more reliable results for two-point observables across all tested cases. The behavior of the corresponding entanglement dynamics is analyzed to reveal the complexity of the quantum states. Our findings indicate that the rate of entanglement growth strongly depends on the interaction range and the presence of disorder. This particular relationship is then used to examine the convergence behavior of ML-MCTDH. Our results indicate that the multilayer structure of ML-MCTDH is a promising numerical framework for handling the dynamics of generic many-body spin systems.
The quantum dynamics of a two-level system coupled to an Ohmic spin bath is studied by means of the perturbation approach based on a unitary transformation. A scattering function xi(k) is introduced in the transformation to take into account quantum fluctuations. By the master equation within the Born approximation, nonequilibrium dynamics quantities are calculated. The method works well for the coupling constant 0<alpha<alpha(c) and a finite bare tunneling Delta. It is found that (i) only at zero temperature with small coupling or moderate one does the spin-spin-bath model display identical behavior as the well-known spin-boson-bath model; (ii) in comparison with the known results of spin-boson-bath model, the coherence-incoherence transition point, which occurs at alpha(c)=12[1+etaDelta/omega(c)], is temperature independent; and (iii) the nonequilibrium correlation function P(t)=tau(z)(t), evolves without temperature dependence, while tau(x)(t) depends on temperature. Both P(t) and tau(x)(t) not only satisfy their initial conditions, respectively, and also have correct long time limits. Besides, the Shiba relation and sum rule are exactly satisfied in the coherent regime for this method. Our results show that increasing temperature does not help the system suppress decoherence in the coherent regime, i.e., finite temperature does not favor the coherent dynamics in this regime. Thus, the finite-temperature dynamics induced by two kinds of baths (spin-bath and boson-bath) exhibit distinctly different physics.
We use the “generalized hierarchical equation of motion” proposed in Paper I [C.-Y. Hsieh and J. Cao, J. Chem. Phys. 148, 014103 (2018)] to study decoherence in a system coupled to a spin bath. The present methodology allows a systematic incorporation of higher-order anharmonic effects of the bath in dynamical calculations. We investigate the leading order corrections to the linear response approximations for spin bath models. Two kinds of spin-based environments are considered: (1) a bath of spins discretized from a continuous spectral density and (2) a bath of localized nuclear or electron spins. The main difference resides with how the bath frequency and the system-bath coupling parameters are distributed in an environment. When discretized from a continuous spectral density, the system-bath coupling typically scales as ∼1/NB where NB is the number of bath spins. This scaling suppresses the non-Gaussian characteristics of the spin bath and justifies the linear response approximations in the thermodynamic limit. For the nuclear/electron spin bath models, system-bath couplings are directly deduced from spin-spin interactions and do not necessarily obey the 1/NB scaling. It is not always possible to justify the linear response approximations in this case. Furthermore, if the spin-spin Hamiltonian is highly symmetrical, there exist additional constraints that generate highly non-Markovian and persistent dynamics that is beyond the linear response treatments.